3-(3-aminophenyl)-5-methoxybenzoic acid

C14H13NO3 — CID 53224920

IUPAC3-(3-aminophenyl)-5-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)cc(-c2cccc(N)c2)c1
InChIInChI=1S/C14H13NO3/c1-18-13-7-10(5-11(8-13)14(16)17)9-3-2-4-12(15)6-9/h2-8H,15H2,1H3,(H,16,17)
InChIKeyAPUCCBFRHGBBAR-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.64
Rot. Bonds3

About 3-(3-aminophenyl)-5-methoxybenzoic acid

3-(3-aminophenyl)-5-methoxybenzoic acid (PubChem CID 53224920) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 3-(3-aminophenyl)-5-methoxybenzoic acid.

Molecular Properties

Compound Name3-(3-aminophenyl)-5-methoxybenzoic acid
PubChem CID53224920
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name3-(3-aminophenyl)-5-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)cc(-c2cccc(N)c2)c1
InChIInChI=1S/C14H13NO3/c1-18-13-7-10(5-11(8-13)14(16)17)9-3-2-4-12(15)6-9/h2-8H,15H2,1H3,(H,16,17)
InChIKeyAPUCCBFRHGBBAR-UHFFFAOYSA-N
XLogP2.64
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[3-(ethylcarbamoyl)phenyl]-5-methoxybenzoic acid
CID 53227846
3-chloro-5-(3-methoxyphenyl)benzoic acid
CID 53225426
3-(2,6-difluorophenyl)-5-methoxybenzoic acid
CID 53225965
5-(3-carboxy-5-methoxyphenyl)-2-chlorobenzoic acid
CID 53228184
3-methoxy-5-(2-methyl-5-phenylphenyl)benzoic acid
CID 57248171
4-(3-aminophenyl)benzoic acid;hydrochloride
CID 2756354
methyl 3-methoxy-5-phenylbenzoate
CID 71086676
4-(3-aminophenyl)-2-methoxybenzoic acid
CID 53224921
3-benzamido-5-(3-methoxyphenyl)benzoic acid
CID 171782860
3-(3-acetamidophenyl)-5-aminobenzoic acid
CID 53227021
3-(3-fluorophenyl)-5-methoxybenzoyl iodide
CID 89467098
4-amino-2-(3-methoxyphenyl)benzoic acid
CID 82293595

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-5-methoxybenzoic acid?
The IUPAC name of 3-(3-aminophenyl)-5-methoxybenzoic acid (CID 53224920) is 3-(3-aminophenyl)-5-methoxybenzoic acid.
What is the SMILES notation for 3-(3-aminophenyl)-5-methoxybenzoic acid?
The canonical SMILES for 3-(3-aminophenyl)-5-methoxybenzoic acid is COc1cc(C(=O)O)cc(-c2cccc(N)c2)c1.
What is the InChIKey of 3-(3-aminophenyl)-5-methoxybenzoic acid?
The InChIKey is APUCCBFRHGBBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-18-13-7-10(5-11(8-13)14(16)17)9-3-2-4-12(15)6-9/h2-8H,15H2,1H3,(H,16,17).
What are the key properties of 3-(3-aminophenyl)-5-methoxybenzoic acid?
3-(3-aminophenyl)-5-methoxybenzoic acid has a molecular weight of 243.26 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-5-methoxybenzoic acid is sourced from PubChem (CID 53224920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).